Spektraris NMR
daphnetin
Common Name: daphnetin
Synonyms: daphnetin
CAS Registry Number:
InChI: InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
InChIKey: InChIKey=ATEFPOUAMCWAQS-UHFFFAOYSA-N
Formula: C9H6O4
Molecular Weight: 178.141887
Exact Mass: 178.026609
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cussans, N.J., Huckerby, T.N. Tetrahedron (1975) 31, 2719-26
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 161.1 |
| 3 (CH) | 111.7 |
| 4 (CH) | 145.4 |
| 5 (CH) | 119.4 |
| 6 (CH) | 113 |
| 7 (C) | 150 |
| 8 (C) | 132.6 |
| 9 (C) | 144.2 |
| 10 (C) | 112.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.